6-methyl-2H-thiazine

C5H7NS — CID 87765624

IUPAC6-methyl-2H-thiazine
SMILESCC1=CC=CNS1
InChIInChI=1S/C5H7NS/c1-5-3-2-4-6-7-5/h2-4,6H,1H3
InChIKeyGPXSBUQMWRBSCL-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.66
Rot. Bonds

About 6-methyl-2H-thiazine

6-methyl-2H-thiazine (PubChem CID 87765624) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 6-methyl-2H-thiazine.

Molecular Properties

Compound Name6-methyl-2H-thiazine
PubChem CID87765624
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name6-methyl-2H-thiazine
SMILESCC1=CC=CNS1
InChIInChI=1S/C5H7NS/c1-5-3-2-4-6-7-5/h2-4,6H,1H3
InChIKeyGPXSBUQMWRBSCL-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-thiazine?
The IUPAC name of 6-methyl-2H-thiazine (CID 87765624) is 6-methyl-2H-thiazine.
What is the SMILES notation for 6-methyl-2H-thiazine?
The canonical SMILES for 6-methyl-2H-thiazine is CC1=CC=CNS1.
What is the InChIKey of 6-methyl-2H-thiazine?
The InChIKey is GPXSBUQMWRBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-3-2-4-6-7-5/h2-4,6H,1H3.
What are the key properties of 6-methyl-2H-thiazine?
6-methyl-2H-thiazine has a molecular weight of 113.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-thiazine is sourced from PubChem (CID 87765624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).